Chemical ID: 4114916

c1c(c(cc(c1F)F)Cl)C(=O)O
Chemical ID:
4114916
Name [?]:
2-chloro-4,5-difluoro-benzoic acid
SMILES [?]:
c1c(c(cc(c1F)F)Cl)C(=O)O
InChi [?]:
InChI=1/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,4,2,3,6,5,10,9,7,8,11,12/E:(11,12)/rA:12nCCCCCCFFClCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3ClF2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.09262
Area:308.849
Solvation:-3.6286
Coulombic:-32.9778
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:192.547
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.58
LogP (Chemaxon):2.36

Name Annotations

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Descriptor Annotations

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